Geometry & MOs

Info

ID:	81877
PubChem CID:	49855289
Reduced:	SO5N6H18C23 (1)
Stoich.:	AB5C6D18E23 (1)
Weight, g/mol:	509.092453
ΔH_f, kcal/mol:	9.5
Dipole, Da:	5.5
IP(EA), eV:	-8.85(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-(4-chlorophenyl)methylideneamino]-3-[4-[(4-methoxyphenyl)carbamothioyl]-3-oxo-1,4-benzoxazin-7-yl]urea

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC4=CC=CC=C4

DOS

IR

Vibrations